N-(6-ethynyl-2-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine

C21H16N8 — CID 118214061

IUPACN-(6-ethynyl-2-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine
SMILESC#Cc1cccc(Nc2cnc3c(n2)N(Cc2ccc4ncccc4c2)NN3)n1
InChIInChI=1S/C21H16N8/c1-2-16-6-3-7-18(24-16)25-19-12-23-20-21(26-19)29(28-27-20)13-14-8-9-17-15(11-14)5-4-10-22-17/h1,3-12,28H,13H2,(H,23,27)(H,24,25,26)
InChIKeyGGFBHTOXWBRQAK-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.00
Rot. Bonds4

About N-(6-ethynyl-2-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine

N-(6-ethynyl-2-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine (PubChem CID 118214061) has the molecular formula C21H16N8 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-(6-ethynyl-2-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine.

Molecular Properties

Compound NameN-(6-ethynyl-2-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine
PubChem CID118214061
Molecular FormulaC21H16N8
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC NameN-(6-ethynyl-2-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine
SMILESC#Cc1cccc(Nc2cnc3c(n2)N(Cc2ccc4ncccc4c2)NN3)n1
InChIInChI=1S/C21H16N8/c1-2-16-6-3-7-18(24-16)25-19-12-23-20-21(26-19)29(28-27-20)13-14-8-9-17-15(11-14)5-4-10-22-17/h1,3-12,28H,13H2,(H,23,27)(H,24,25,26)
InChIKeyGGFBHTOXWBRQAK-UHFFFAOYSA-N
XLogP3.00
TPSA90.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(6-ethynyl-2-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine with MolForge

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Related Compounds

N-(5-morpholin-4-yl-3-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine
CID 118214070
6-[(5-pyridin-2-ylsulfanyl-1,2-dihydrotriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline
CID 139321401
N-(2-methoxy-4-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-amine
CID 167146850
N-[2-(dimethylamino)ethyl]-N-methyl-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]benzamide
CID 143578589
trans-(1R,2R)-2-[[2-[[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]amino]-4-pyridinyl]amino]cyclopentan-1-ol
CID 139321387
6-[[5-(1H-pyrazol-5-yl)-1,2-dihydrotriazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 118214035
5-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]thiophene-2-carbaldehyde
CID 118214051
5-N-(6-morpholin-4-yl-2-pyridinyl)-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine
CID 139321434
2-methyl-1-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]propan-2-ol
CID 59341867
N-(quinolin-6-ylmethyl)prop-2-yn-1-amine
CID 28776188
6-[(4-methylidene-1-pyridinyl)methyl]quinoline
CID 142002003
5-bromo-1-(quinolin-6-ylmethyl)-1,2,4-triazol-3-amine
CID 103098719

Frequently Asked Questions

What is the IUPAC name of N-(6-ethynyl-2-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine?
The IUPAC name of N-(6-ethynyl-2-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine (CID 118214061) is N-(6-ethynyl-2-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine.
What is the SMILES notation for N-(6-ethynyl-2-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine?
The canonical SMILES for N-(6-ethynyl-2-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine is C#Cc1cccc(Nc2cnc3c(n2)N(Cc2ccc4ncccc4c2)NN3)n1.
What is the InChIKey of N-(6-ethynyl-2-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine?
The InChIKey is GGFBHTOXWBRQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N8/c1-2-16-6-3-7-18(24-16)25-19-12-23-20-21(26-19)29(28-27-20)13-14-8-9-17-15(11-14)5-4-10-22-17/h1,3-12,28H,13H2,(H,23,27)(H,24,25,26).
What are the key properties of N-(6-ethynyl-2-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine?
N-(6-ethynyl-2-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine has a molecular weight of 380.42 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethynyl-2-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine is sourced from PubChem (CID 118214061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).